@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.8584    9.3149   13.1189  C     
2    C        -6.2188    8.9658   14.4335  C     
3    C        -7.3200    8.1197   14.6590  C     
4    C        -8.0595    7.6296   13.5671  C     
5    C        -7.6966    7.9745   12.2507  C     
6    F        -7.6718    7.8028   15.8754  F     
7    C        -6.5924    8.8217   12.0107  C     
8    C        -6.1950    9.1577   10.6183  C     
9    N        -7.2434    9.8864    9.9667  N     
10   C        -8.1778    9.4009    9.1555  C     
11   O        -8.2524    8.1851    9.0089  O     
12   C        -9.1068   10.2429    8.5318  C     
13   C        -8.8304   11.6146    8.2856  C     
14   C       -10.3604    9.7431    8.0927  C     
15   C       -11.2877   10.5696    7.4314  C     
16   C       -10.9922   11.9232    7.1822  C     
17   C        -9.7552   12.4384    7.6142  C     
18   S       -12.1185   12.9328    6.3186  S     
19   O       -11.3497   13.4023    5.0075  O     
20   O       -13.4200   12.1327    5.8620  O     
21   N       -12.5668   14.3329    7.1350  N     
22   H        -5.0561    9.9334   12.9744  H     
23   H        -5.6847    9.3350   15.2234  H     
24   H        -8.8688    7.0252   13.7188  H     
25   H        -8.2348    7.6109   11.4493  H     
26   H        -5.2993    9.7825   10.6021  H     
27   H        -5.9437    8.2244   10.1079  H     
28   H        -7.2813   10.8370   10.1645  H     
29   H        -7.9382   12.0257    8.5674  H     
30   H       -10.6172    8.7679    8.2587  H     
31   H       -12.1779   10.1709    7.1304  H     
32   H        -9.5121   13.4150    7.4369  H     
33   H       -12.8458   15.1205    6.6299  H     
34   H       -12.6457   14.3294    8.1013  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7906
  Crash		| -0.5715
  Polar		| 1.3770
  FragIndex	| 1
  FragRMSD	| 0.149